# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88695764
_cell_length_b   20.63015861
_cell_length_c   48.50072472
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al108 Ni36'
_cell_volume   4889.78055784
_cell_formula_units_Z   36
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Al  Al1  1  0.597670  0.357623  0.391601  1
  Al  Al2  1  0.617823  0.649950  0.342561  1
  Al  Al3  1  0.619717  0.935486  0.298916  1
  Al  Al4  1  0.120902  0.375118  0.356647  1
  Al  Al5  1  0.151065  0.667497  0.308213  1
  Al  Al6  1  0.132917  0.086735  0.402322  1
  Al  Al7  1  0.123548  0.427025  0.411193  1
  Al  Al8  1  0.142720  0.717035  0.363143  1
  Al  Al9  1  0.140763  0.011840  0.314383  1
  Al  Al10  1  0.618990  0.400807  0.336384  1
  Al  Al11  1  0.649417  0.702508  0.286685  1
  Al  Al12  1  0.630796  0.115384  0.379424  1
  Al  Al13  1  0.382402  0.523443  0.330916  1
  Al  Al14  1  0.378342  0.941450  0.426523  1
  Al  Al15  1  0.361948  0.232846  0.378524  1
  Al  Al16  1  0.876698  0.628192  0.395647  1
  Al  Al17  1  0.893484  0.919578  0.349217  1
  Al  Al18  1  0.857030  0.211525  0.300532  1
  Al  Al19  1  0.376633  0.573971  0.386404  1
  Al  Al20  1  0.389759  0.862826  0.340835  1
  Al  Al21  1  0.347036  0.147849  0.292731  1
  Al  Al22  1  0.875690  0.551809  0.307258  1
  Al  Al23  1  0.878916  0.969394  0.403840  1
  Al  Al24  1  0.858174  0.259611  0.356308  1
  Al  Al25  1  0.626124  0.483189  0.419601  1
  Al  Al26  1  0.642718  0.772391  0.372218  1
  Al  Al27  1  0.642865  0.065617  0.324697  1
  Al  Al28  1  0.895125  0.502137  0.365435  1
  Al  Al29  1  0.917724  0.796020  0.320385  1
  Al  Al30  1  0.893517  0.211045  0.414134  1
  Al  Al31  1  0.403019  0.698068  0.416411  1
  Al  Al32  1  0.407126  0.988098  0.367621  1
  Al  Al33  1  0.372930  0.280688  0.320171  1
  Al  Al34  1  0.116662  0.422948  0.301930  1
  Al  Al35  1  0.116080  0.842531  0.392755  1
  Al  Al36  1  0.101306  0.135869  0.345313  1
  Al  Al37  1  0.609086  0.486314  0.533962  1
  Al  Al38  1  0.609072  0.776675  0.486149  1
  Al  Al39  1  0.608212  0.067378  0.437781  1
  Al  Al40  1  0.132088  0.505700  0.498328  1
  Al  Al41  1  0.135858  0.795926  0.450734  1
  Al  Al42  1  0.129226  0.215367  0.546393  1
  Al  Al43  1  0.134910  0.556793  0.553913  1
  Al  Al44  1  0.131795  0.846645  0.506785  1
  Al  Al45  1  0.130903  0.137061  0.458643  1
  Al  Al46  1  0.631578  0.533315  0.475650  1
  Al  Al47  1  0.636428  0.823109  0.428168  1
  Al  Al48  1  0.629575  0.242512  0.523963  1
  Al  Al49  1  0.375076  0.651257  0.474299  1
  Al  Al50  1  0.368224  0.070660  0.570094  1
  Al  Al51  1  0.373074  0.360455  0.522612  1
  Al  Al52  1  0.873749  0.756708  0.539620  1
  Al  Al53  1  0.872857  0.047125  0.491477  1
  Al  Al54  1  0.869742  0.336976  0.444349  1
  Al  Al55  1  0.374100  0.701407  0.530582  1
  Al  Al56  1  0.373504  0.991786  0.482645  1
  Al  Al57  1  0.368568  0.281418  0.435243  1
  Al  Al58  1  0.875425  0.678403  0.451869  1
  Al  Al59  1  0.868793  0.097844  0.547528  1
  Al  Al60  1  0.872564  0.388069  0.499935  1
  Al  Al61  1  0.636084  0.612351  0.563019  1
  Al  Al62  1  0.631148  0.901984  0.515617  1
  Al  Al63  1  0.630552  0.192362  0.467680  1
  Al  Al64  1  0.899736  0.631516  0.509577  1
  Al  Al65  1  0.900119  0.921741  0.461969  1
  Al  Al66  1  0.896981  0.341202  0.558156  1
  Al  Al67  1  0.396440  0.826391  0.560481  1
  Al  Al68  1  0.395580  0.117094  0.512113  1
  Al  Al69  1  0.395566  0.407455  0.464301  1
  Al  Al70  1  0.107670  0.552568  0.440106  1
  Al  Al71  1  0.104532  0.972029  0.536293  1
  Al  Al72  1  0.104916  0.262253  0.488685  1
  Al  Al73  1  0.631721  0.613081  0.678092  1
  Al  Al74  1  0.597526  0.905671  0.630641  1
  Al  Al75  1  0.601632  0.195701  0.581851  1
  Al  Al76  1  0.146477  0.634158  0.641955  1
  Al  Al77  1  0.125736  0.924376  0.594422  1
  Al  Al78  1  0.128962  0.341961  0.691004  1
  Al  Al79  1  0.147622  0.682244  0.697730  1
  Al  Al80  1  0.111168  0.974191  0.649045  1
  Al  Al81  1  0.127953  0.265578  0.602615  1
  Al  Al82  1  0.642704  0.660923  0.619738  1
  Al  Al83  1  0.626310  0.952320  0.571739  1
  Al  Al84  1  0.622250  0.370326  0.667346  1
  Al  Al85  1  0.373856  0.778385  0.618838  1
  Al  Al86  1  0.355234  0.191262  0.711577  1
  Al  Al87  1  0.385662  0.492962  0.661879  1
  Al  Al88  1  0.863888  0.881929  0.683880  1
  Al  Al89  1  0.861932  0.176734  0.635119  1
  Al  Al90  1  0.881104  0.466745  0.587069  1
  Al  Al91  1  0.361786  0.828152  0.673565  1
  Al  Al92  1  0.361934  0.121378  0.626044  1
  Al  Al93  1  0.378527  0.410581  0.578661  1
  Al  Al94  1  0.871734  0.807035  0.595941  1
  Al  Al95  1  0.853587  0.226273  0.690049  1
  Al  Al96  1  0.883749  0.518651  0.641615  1
  Al  Al97  1  0.657615  0.745920  0.705532  1
  Al  Al98  1  0.614893  0.030943  0.657427  1
  Al  Al99  1  0.628019  0.319798  0.611858  1
  Al  Al100  1  0.903346  0.757900  0.652950  1
  Al  Al101  1  0.888571  0.051239  0.605508  1
  Al  Al102  1  0.887990  0.470822  0.696333  1
  Al  Al103  1  0.384935  0.958283  0.699346  1
  Al  Al104  1  0.386829  0.243819  0.655701  1
  Al  Al105  1  0.406982  0.536146  0.606661  1
  Al  Al106  1  0.111135  0.682724  0.584128  1
  Al  Al107  1  0.086927  0.097749  0.677877  1
  Al  Al108  1  0.109526  0.391632  0.632827  1
  Ni  Ni109  1  0.079729  0.605371  0.349031  1
  Ni  Ni110  1  0.110200  0.899078  0.303594  1
  Ni  Ni111  1  0.068296  0.314614  0.398125  1
  Ni  Ni112  1  0.410870  0.462141  0.373598  1
  Ni  Ni113  1  0.431331  0.754796  0.325408  1
  Ni  Ni114  1  0.422221  0.170662  0.420712  1
  Ni  Ni115  1  0.891760  0.322210  0.314516  1
  Ni  Ni116  1  0.932762  0.739456  0.409783  1
  Ni  Ni117  1  0.934138  0.031081  0.361451  1
  Ni  Ni118  1  0.619312  0.455526  0.294864  1
  Ni  Ni119  1  0.591311  0.884639  0.386154  1
  Ni  Ni120  1  0.564510  0.177237  0.337277  1
  Ni  Ni121  1  0.081505  0.735007  0.492936  1
  Ni  Ni122  1  0.081894  0.025413  0.444794  1
  Ni  Ni123  1  0.083154  0.444545  0.540802  1
  Ni  Ni124  1  0.428277  0.589811  0.516436  1
  Ni  Ni125  1  0.426706  0.880145  0.468957  1
  Ni  Ni126  1  0.422734  0.299138  0.564945  1
  Ni  Ni127  1  0.921498  0.449224  0.457460  1
  Ni  Ni128  1  0.922757  0.868357  0.553468  1
  Ni  Ni129  1  0.923146  0.158763  0.505326  1
  Ni  Ni130  1  0.581918  0.594632  0.433317  1
  Ni  Ni131  1  0.577946  0.013624  0.529305  1
  Ni  Ni132  1  0.576375  0.303959  0.481827  1
  Ni  Ni133  1  0.070514  0.862689  0.636811  1
  Ni  Ni134  1  0.071890  0.154313  0.588479  1
  Ni  Ni135  1  0.112892  0.571560  0.683746  1
  Ni  Ni136  1  0.440142  0.716532  0.660986  1
  Ni  Ni137  1  0.413341  0.009130  0.612108  1
  Ni  Ni138  1  0.385339  0.438243  0.703398  1
  Ni  Ni139  1  0.936356  0.579155  0.600137  1
  Ni  Ni140  1  0.894452  0.994691  0.694668  1
  Ni  Ni141  1  0.924922  0.288398  0.649231  1
  Ni  Ni142  1  0.582431  0.723108  0.577550  1
  Ni  Ni143  1  0.573321  0.138974  0.672854  1
  Ni  Ni144  1  0.593781  0.431628  0.624664  1
